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Understanding Electronic Peculiarities in Tetragonal FeSe as Local Structural Symmetry Breaking
Zhi Wang, Xingang Zhao, Robert Koch +2
Traditional band theory of perfect crystalline solids often uses as input the structure deduced from diffraction experiments; when modeled by the minimal unit cell this often produ…
sasPDF: pair distribution function analysis of nanoparticle assemblies from small-angle-scattering data
Chia-Hao Liu, Eric M. Janke, Ruipen Li +4
We extends pair distribution function (PDF) analysis into the small-angle scattering (SAS) regime and describe the data collection protocol for optimum data quality. We also presen…
Structure-mining: screening structure models by automated fitting to the atomic pair distribution function over large numbers of models
Long Yang, Pavol Juhás, Maxwell W. Terban +2
A new approach is presented to obtain candidate structures from atomic pair distribution function (PDF) data in a highly automated way. It fetches, from web-based structural databa…
Photoinduced ultrafast dynamics of local nematicity and lattice distortions in FeSe crystals
T. Konstantinova, L. Wu, M. Abeykoon +12
Formation of electronic nematicity is a common thread of unconventional superconductors. In iron-based materials, the long-range nematic order is revealed by the orthorhombic latti…
Using a machine learning approach to determine the space group of a structure from the atomic pair distribution function (PDF)
Chia-Hao Liu, Yunzhe Tao, Daniel Hsu +2
We present a method for predicting the space group of a structure given a calculated or measured atomic pair distribution function (PDF) from that structure. The method utilizes ma…
Room temperature local nematicity in FeSe superconductor
R. J. Koch, T. Konstantinova, M. Abeykoon +5
We report pair distribution function measurements of the iron-based superconductor FeSe above and below the structural transition temperature. Structural analysis reveals a local o…